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[ CAS No. 509073-67-0 ] {[proInfo.proName]}

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HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 509073-67-0
Chemical Structure| 509073-67-0
Chemical Structure| 509073-67-0
Structure of 509073-67-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 509073-67-0 ]

CAS No. :509073-67-0 MDL No. :MFCD23135264
Formula : C8H8BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :ORRDZVRYRNYLMB-UHFFFAOYSA-N
M.W : 214.06 Pubchem ID :584070
Synonyms :

Calculated chemistry of [ 509073-67-0 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.37
TPSA : 43.09 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.55
Log Po/w (XLOGP3) : -3.06
Log Po/w (WLOGP) : 1.53
Log Po/w (MLOGP) : 2.0
Log Po/w (SILICOS-IT) : 1.98
Consensus Log Po/w : 0.8

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.49
Solubility : 660.0 mg/ml ; 3.08 mol/l
Class : Highly soluble
Log S (Ali) : 2.72
Solubility : 112000.0 mg/ml ; 524.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -3.25
Solubility : 0.12 mg/ml ; 0.000561 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.46

Safety of [ 509073-67-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501 UN#:3261
Hazard Statements:H302-H335-H314 Packing Group:
GHS Pictogram:
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